methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate

C16H24N2O3 — CID 83993625

IUPACmethyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1
InChIInChI=1S/C16H24N2O3/c1-12(19)14-8-15(11-18(10-14)16(20)21-2)17-9-13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3
InChIKeyQKFVYUJXWDJBRA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.61
Rot. Bonds4

About methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate

methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 83993625) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID83993625
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1
InChIInChI=1S/C16H24N2O3/c1-12(19)14-8-15(11-18(10-14)16(20)21-2)17-9-13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3
InChIKeyQKFVYUJXWDJBRA-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
methyl 3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992232
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
CID 58075022
methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
CID 83993878
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate (CID 83993625) is methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate is COC(=O)N1CC(NCc2ccccc2)CC(C(C)O)C1.
What is the InChIKey of methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is QKFVYUJXWDJBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)14-8-15(11-18(10-14)16(20)21-2)17-9-13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3.
What are the key properties of methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 83993625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).